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Compile Data Set for Download or QSAR

Found 7758 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50172243
PNG
(CHEMBL3103192)
Show SMILES CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
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n/an/an/a 0.000250n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha assessed as dissociation rate


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010980
PNG
(CHEMBL4089961)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C82H100N12O31S2/c1-6-93-61-28-25-45(126(119,120)121)35-52(61)81(3,4)63(93)20-16-18-51-49-27-24-46(127(122,123)124)36-62(49)94(7-2)82(51,5)30-17-22-64(95)84-31-14-13-19-53(80(117)118)86-73(110)56(38-67(99)100)88-75(112)58(40-69(103)104)90-77(114)60(42-71(107)108)91-76(113)59(41-70(105)106)89-74(111)57(39-68(101)102)87-72(109)55(37-66(97)98)85-65(96)21-12-10-8-9-11-15-33-125-78-48-29-32-83-43-50(48)47-26-23-44(79(115)116)34-54(47)92-78/h16,18,20,23-29,32,34-36,43,53,55-60H,6-15,17,19,21-22,30-31,33,37-42H2,1-5H3,(H17-,84,85,86,87,88,89,90,91,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124)/t53-,55-,56-,57-,58-,59-,60-,82?/m0/s1
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n/an/an/a 0.0129n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010980
PNG
(CHEMBL4089961)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C82H100N12O31S2/c1-6-93-61-28-25-45(126(119,120)121)35-52(61)81(3,4)63(93)20-16-18-51-49-27-24-46(127(122,123)124)36-62(49)94(7-2)82(51,5)30-17-22-64(95)84-31-14-13-19-53(80(117)118)86-73(110)56(38-67(99)100)88-75(112)58(40-69(103)104)90-77(114)60(42-71(107)108)91-76(113)59(41-70(105)106)89-74(111)57(39-68(101)102)87-72(109)55(37-66(97)98)85-65(96)21-12-10-8-9-11-15-33-125-78-48-29-32-83-43-50(48)47-26-23-44(79(115)116)34-54(47)92-78/h16,18,20,23-29,32,34-36,43,53,55-60H,6-15,17,19,21-22,30-31,33,37-42H2,1-5H3,(H17-,84,85,86,87,88,89,90,91,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124)/t53-,55-,56-,57-,58-,59-,60-,82?/m0/s1
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n/an/an/a 0.0160n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010942
PNG
(CHEMBL4077554)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C52H66N10O24/c53-14-7-6-9-29(52(84)85)56-45(77)32(19-39(66)67)58-47(79)34(21-41(70)71)60-49(81)36(23-43(74)75)61-48(80)35(22-42(72)73)59-46(78)33(20-40(68)69)57-44(76)31(18-38(64)65)55-37(63)10-5-3-1-2-4-8-16-86-50-27-13-15-54-24-28(27)26-12-11-25(51(82)83)17-30(26)62-50/h11-13,15,17,24,29,31-36H,1-10,14,16,18-23,53H2,(H,55,63)(H,56,77)(H,57,76)(H,58,79)(H,59,78)(H,60,81)(H,61,80)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,82,83)(H,84,85)/t29-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/an/a 0.0316n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010942
PNG
(CHEMBL4077554)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C52H66N10O24/c53-14-7-6-9-29(52(84)85)56-45(77)32(19-39(66)67)58-47(79)34(21-41(70)71)60-49(81)36(23-43(74)75)61-48(80)35(22-42(72)73)59-46(78)33(20-40(68)69)57-44(76)31(18-38(64)65)55-37(63)10-5-3-1-2-4-8-16-86-50-27-13-15-54-24-28(27)26-12-11-25(51(82)83)17-30(26)62-50/h11-13,15,17,24,29,31-36H,1-10,14,16,18-23,53H2,(H,55,63)(H,56,77)(H,57,76)(H,58,79)(H,59,78)(H,60,81)(H,61,80)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,82,83)(H,84,85)/t29-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/an/a 0.0370n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50040717
PNG
(CHEMBL4099729)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H56N8O18/c45-14-7-6-9-27(47-33(53)10-5-3-1-2-4-8-16-70-42-25-13-15-46-22-26(25)24-12-11-23(43(66)67)17-28(24)52-42)38(62)48-29(18-34(54)55)39(63)49-30(19-35(56)57)40(64)50-31(20-36(58)59)41(65)51-32(44(68)69)21-37(60)61/h11-13,15,17,22,27,29-32H,1-10,14,16,18-21,45H2,(H,47,53)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,66,67)(H,68,69)/t27-,29-,30-,31-,32-/m0/s1
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n/an/an/a 0.0933n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50040717
PNG
(CHEMBL4099729)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H56N8O18/c45-14-7-6-9-27(47-33(53)10-5-3-1-2-4-8-16-70-42-25-13-15-46-22-26(25)24-12-11-23(43(66)67)17-28(24)52-42)38(62)48-29(18-34(54)55)39(63)49-30(19-35(56)57)40(64)50-31(20-36(58)59)41(65)51-32(44(68)69)21-37(60)61/h11-13,15,17,22,27,29-32H,1-10,14,16,18-21,45H2,(H,47,53)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,66,67)(H,68,69)/t27-,29-,30-,31-,32-/m0/s1
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n/an/an/a 0.0940n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010975
PNG
(CHEMBL4075338)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H40N6O13/c41-26(37-23(14-27(42)43)31(48)39-24(15-28(44)45)32(49)40-25(34(52)53)16-29(46)47)7-5-3-1-2-4-6-11-36-30-20-10-12-35-17-21(20)19-9-8-18(33(50)51)13-22(19)38-30/h8-10,12-13,17,23-25H,1-7,11,14-16H2,(H,36,38)(H,37,41)(H,39,48)(H,40,49)(H,42,43)(H,44,45)(H,46,47)(H,50,51)(H,52,53)/t23-,24-,25-/m0/s1
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n/an/an/a 0.162n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010975
PNG
(CHEMBL4075338)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H40N6O13/c41-26(37-23(14-27(42)43)31(48)39-24(15-28(44)45)32(49)40-25(34(52)53)16-29(46)47)7-5-3-1-2-4-6-11-36-30-20-10-12-35-17-21(20)19-9-8-18(33(50)51)13-22(19)38-30/h8-10,12-13,17,23-25H,1-7,11,14-16H2,(H,36,38)(H,37,41)(H,39,48)(H,40,49)(H,42,43)(H,44,45)(H,46,47)(H,50,51)(H,52,53)/t23-,24-,25-/m0/s1
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n/an/an/a 0.170n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50450094
PNG
(CHEMBL4162173)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc([se]1)-c1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C50H65N11O25Se/c51-14-4-3-6-25(49(85)86)55-43(78)27(17-37(67)68)57-45(80)29(19-39(71)72)59-47(82)31(21-41(75)76)60-46(81)30(20-40(73)74)58-44(79)28(18-38(69)70)56-42(77)26(16-36(65)66)54-34(63)7-2-1-5-15-52-33(62)12-13-35(64)61-50-53-22-32(87-50)23-8-10-24(11-9-23)48(83)84/h8-11,22,25-31H,1-7,12-21,51H2,(H,52,62)(H,54,63)(H,55,78)(H,56,77)(H,57,80)(H,58,79)(H,59,82)(H,60,81)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,83,84)(H,85,86)(H,53,61,64)/t25-,26-,27-,28-,29-,30-,31-/m1/s1
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n/an/an/a 0.340n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010943
PNG
(CHEMBL4075701)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C77H94Br4N12O28S2/c1-6-92-52-27-25-40(122(116,117)118)31-44(52)76(3,4)54(92)21-13-11-12-19-43-42-26-24-41(123(119,120)121)32-53(42)93(7-2)77(43,5)28-18-23-55(94)82-29-16-15-20-45(75(114)115)85-70(109)47(34-58(98)99)87-72(111)49(36-60(102)103)89-74(113)51(38-62(106)107)90-73(112)50(37-61(104)105)88-71(110)48(35-59(100)101)86-69(108)46(33-57(96)97)84-56(95)22-14-9-8-10-17-30-91-39-83-67-65(80)63(78)64(79)66(81)68(67)91/h11-13,19,21,24-27,31-32,39,45-51H,6-10,14-18,20,22-23,28-30,33-38H2,1-5H3,(H16-,82,84,85,86,87,88,89,90,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121)/t45-,46-,47-,48-,49-,50-,51-,77?/m0/s1
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n/an/an/a 0.400n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50450092
PNG
(CHEMBL4169451)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc(s3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C75H85N13O29S/c1-87(2)39-17-20-42-52(27-39)117-53-28-40(88(3)4)18-21-43(53)64(42)41-19-16-38(26-44(41)73(113)114)65(104)77-25-9-7-10-45(74(115)116)80-67(106)47(30-59(94)95)82-69(108)49(32-61(98)99)84-71(110)51(34-63(102)103)85-70(109)50(33-62(100)101)83-68(107)48(31-60(96)97)81-66(105)46(29-58(92)93)79-56(90)11-6-5-8-24-76-55(89)22-23-57(91)86-75-78-35-54(118-75)36-12-14-37(15-13-36)72(111)112/h12-21,26-28,35,45-51H,5-11,22-25,29-34H2,1-4H3,(H18-,76,77,78,79,80,81,82,83,84,85,86,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116)/t45-,46-,47-,48-,49-,50-,51-/m1/s1
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n/an/an/a 0.400n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010971
PNG
(CHEMBL4069112)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H39N5O14/c40-26(36-23(14-27(41)42)30(47)37-24(15-28(43)44)31(48)38-25(34(51)52)16-29(45)46)7-5-3-1-2-4-6-12-53-32-20-10-11-35-17-21(20)19-9-8-18(33(49)50)13-22(19)39-32/h8-11,13,17,23-25H,1-7,12,14-16H2,(H,36,40)(H,37,47)(H,38,48)(H,41,42)(H,43,44)(H,45,46)(H,49,50)(H,51,52)/t23-,24-,25-/m0/s1
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n/an/an/a 0.417n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010971
PNG
(CHEMBL4069112)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H39N5O14/c40-26(36-23(14-27(41)42)30(47)37-24(15-28(43)44)31(48)38-25(34(51)52)16-29(45)46)7-5-3-1-2-4-6-12-53-32-20-10-11-35-17-21(20)19-9-8-18(33(49)50)13-22(19)39-32/h8-11,13,17,23-25H,1-7,12,14-16H2,(H,36,40)(H,37,47)(H,38,48)(H,41,42)(H,43,44)(H,45,46)(H,49,50)(H,51,52)/t23-,24-,25-/m0/s1
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n/an/an/a 0.420n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50028301
PNG
(CHEMBL4061407)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O
Show InChI InChI=1S/C45H58Br4N10O21/c46-33-34(47)36(49)38-37(35(33)48)51-18-59(38)11-7-3-1-2-4-9-26(60)52-20(12-27(61)62)39(73)54-22(14-29(65)66)41(75)56-24(16-31(69)70)43(77)58-25(17-32(71)72)44(78)57-23(15-30(67)68)42(76)55-21(13-28(63)64)40(74)53-19(45(79)80)8-5-6-10-50/h18-25H,1-17,50H2,(H,52,60)(H,53,74)(H,54,73)(H,55,76)(H,56,75)(H,57,78)(H,58,77)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,79,80)/t19-,20-,21-,22-,23-,24-,25-/m0/s1
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n/an/an/a 0.5n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010963
PNG
(CHEMBL4076226)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C76H92N10O25S2/c1-6-85-59-30-27-45(112(105,106)107)37-52(59)75(3,4)61(85)22-14-12-13-20-51-49-29-26-46(113(108,109)110)38-60(49)86(7-2)76(51,5)32-19-24-62(87)78-33-17-16-21-53(79-63(88)23-15-10-8-9-11-18-35-111-72-48-31-34-77-43-50(48)47-28-25-44(73(101)102)36-54(47)84-72)68(97)80-55(39-64(89)90)69(98)81-56(40-65(91)92)70(99)82-57(41-66(93)94)71(100)83-58(74(103)104)42-67(95)96/h12-14,20,22,25-31,34,36-38,43,53,55-58H,6-11,15-19,21,23-24,32-33,35,39-42H2,1-5H3,(H13-,78,79,80,81,82,83,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110)/t53-,55-,56-,57-,58-,76?/m0/s1
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n/an/an/a 0.550n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010963
PNG
(CHEMBL4076226)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C76H92N10O25S2/c1-6-85-59-30-27-45(112(105,106)107)37-52(59)75(3,4)61(85)22-14-12-13-20-51-49-29-26-46(113(108,109)110)38-60(49)86(7-2)76(51,5)32-19-24-62(87)78-33-17-16-21-53(79-63(88)23-15-10-8-9-11-18-35-111-72-48-31-34-77-43-50(48)47-28-25-44(73(101)102)36-54(47)84-72)68(97)80-55(39-64(89)90)69(98)81-56(40-65(91)92)70(99)82-57(41-66(93)94)71(100)83-58(74(103)104)42-67(95)96/h12-14,20,22,25-31,34,36-38,43,53,55-58H,6-11,15-19,21,23-24,32-33,35,39-42H2,1-5H3,(H13-,78,79,80,81,82,83,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110)/t53-,55-,56-,57-,58-,76?/m0/s1
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n/an/an/a 0.550n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/an/a 0.560n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/an/a 0.562n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50450096
PNG
(CHEMBL4177303)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C50H65N11O25S/c51-14-4-3-6-25(49(85)86)55-43(78)27(17-37(67)68)57-45(80)29(19-39(71)72)59-47(82)31(21-41(75)76)60-46(81)30(20-40(73)74)58-44(79)28(18-38(69)70)56-42(77)26(16-36(65)66)54-34(63)7-2-1-5-15-52-33(62)12-13-35(64)61-50-53-22-32(87-50)23-8-10-24(11-9-23)48(83)84/h8-11,22,25-31H,1-7,12-21,51H2,(H,52,62)(H,54,63)(H,55,78)(H,56,77)(H,57,80)(H,58,79)(H,59,82)(H,60,81)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,83,84)(H,85,86)(H,53,61,64)/t25-,26-,27-,28-,29-,30-,31-/m1/s1
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n/an/an/a 0.580n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010978
PNG
(CHEMBL4077233)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H56N8O18/c45-14-7-6-9-27(47-33(53)10-5-3-1-2-4-8-16-52-32-17-23(43(67)68)11-12-24(32)26-22-46-15-13-25(26)42(52)66)38(62)48-28(18-34(54)55)39(63)49-29(19-35(56)57)40(64)50-30(20-36(58)59)41(65)51-31(44(69)70)21-37(60)61/h11-13,15,17,22,27-31H,1-10,14,16,18-21,45H2,(H,47,53)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,67,68)(H,69,70)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 0.708n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010978
PNG
(CHEMBL4077233)
Show SMILES NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H56N8O18/c45-14-7-6-9-27(47-33(53)10-5-3-1-2-4-8-16-52-32-17-23(43(67)68)11-12-24(32)26-22-46-15-13-25(26)42(52)66)38(62)48-28(18-34(54)55)39(63)49-29(19-35(56)57)40(64)50-30(20-36(58)59)41(65)51-31(44(69)70)21-37(60)61/h11-13,15,17,22,27-31H,1-10,14,16,18-21,45H2,(H,47,53)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,67,68)(H,69,70)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 0.710n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50450095
PNG
(CHEMBL4172847)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc([se]3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C75H85N13O29Se/c1-87(2)39-17-20-42-52(27-39)117-53-28-40(88(3)4)18-21-43(53)64(42)41-19-16-38(26-44(41)73(113)114)65(104)77-25-9-7-10-45(74(115)116)80-67(106)47(30-59(94)95)82-69(108)49(32-61(98)99)84-71(110)51(34-63(102)103)85-70(109)50(33-62(100)101)83-68(107)48(31-60(96)97)81-66(105)46(29-58(92)93)79-56(90)11-6-5-8-24-76-55(89)22-23-57(91)86-75-78-35-54(118-75)36-12-14-37(15-13-36)72(111)112/h12-21,26-28,35,45-51H,5-11,22-25,29-34H2,1-4H3,(H18-,76,77,78,79,80,81,82,83,84,85,86,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116)/t45-,46-,47-,48-,49-,50-,51-/m1/s1
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n/an/an/a 0.850n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay


Bioorg Med Chem 26: 5062-5068 (2018)

More data for this
Ligand-Target Pair
Casein kinase I isoform alpha-like


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1A1L


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK1G1 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1G3


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-3


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1G3


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK1G1 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1E


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK2A2


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1D


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/s2
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1G2


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010973
PNG
(CHEMBL4091080)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H35N5O14/c38-24(34-21(12-25(39)40)28(45)35-22(13-26(41)42)29(46)36-23(32(49)50)14-27(43)44)5-3-1-2-4-10-51-30-18-8-9-33-15-19(18)17-7-6-16(31(47)48)11-20(17)37-30/h6-9,11,15,21-23H,1-5,10,12-14H2,(H,34,38)(H,35,45)(H,36,46)(H,39,40)(H,41,42)(H,43,44)(H,47,48)(H,49,50)/t21-,22-,23-/m0/s1
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n/an/an/a 1.60n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010973
PNG
(CHEMBL4091080)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H35N5O14/c38-24(34-21(12-25(39)40)28(45)35-22(13-26(41)42)29(46)36-23(32(49)50)14-27(43)44)5-3-1-2-4-10-51-30-18-8-9-33-15-19(18)17-7-6-16(31(47)48)11-20(17)37-30/h6-9,11,15,21-23H,1-5,10,12-14H2,(H,34,38)(H,35,45)(H,36,46)(H,39,40)(H,41,42)(H,43,44)(H,47,48)(H,49,50)/t21-,22-,23-/m0/s1
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n/an/an/a 1.60n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50054627
PNG
(CHEMBL4070115)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H39N5O14/c40-26(36-22(14-27(41)42)30(47)37-23(15-28(43)44)31(48)38-24(34(52)53)16-29(45)46)7-5-3-1-2-4-6-12-39-25-13-18(33(50)51)8-9-19(25)21-17-35-11-10-20(21)32(39)49/h8-11,13,17,22-24H,1-7,12,14-16H2,(H,36,40)(H,37,47)(H,38,48)(H,41,42)(H,43,44)(H,45,46)(H,50,51)(H,52,53)/t22-,23-,24-/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010979
PNG
(CHEMBL4072540)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C76H92N10O25S2/c1-6-84-58-30-27-45(112(106,107)108)37-52(58)75(3,4)61(84)22-14-12-13-20-51-49-29-26-46(113(109,110)111)38-60(49)86(7-2)76(51,5)32-19-24-62(87)78-33-17-16-21-53(79-63(88)23-15-10-8-9-11-18-35-85-59-36-44(73(102)103)25-28-47(59)50-43-77-34-31-48(50)72(85)101)68(97)80-54(39-64(89)90)69(98)81-55(40-65(91)92)70(99)82-56(41-66(93)94)71(100)83-57(74(104)105)42-67(95)96/h12-14,20,22,25-31,34,36-38,43,53-57H,6-11,15-19,21,23-24,32-33,35,39-42H2,1-5H3,(H13-,78,79,80,81,82,83,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110,111)/t53-,54-,55-,56-,57-,76?/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010979
PNG
(CHEMBL4072540)
Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C76H92N10O25S2/c1-6-84-58-30-27-45(112(106,107)108)37-52(58)75(3,4)61(84)22-14-12-13-20-51-49-29-26-46(113(109,110)111)38-60(49)86(7-2)76(51,5)32-19-24-62(87)78-33-17-16-21-53(79-63(88)23-15-10-8-9-11-18-35-85-59-36-44(73(102)103)25-28-47(59)50-43-77-34-31-48(50)72(85)101)68(97)80-54(39-64(89)90)69(98)81-55(40-65(91)92)70(99)82-56(41-66(93)94)71(100)83-57(74(104)105)42-67(95)96/h12-14,20,22,25-31,34,36-38,43,53-57H,6-11,15-19,21,23-24,32-33,35,39-42H2,1-5H3,(H13-,78,79,80,81,82,83,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110,111)/t53-,54-,55-,56-,57-,76?/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50054627
PNG
(CHEMBL4070115)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H39N5O14/c40-26(36-22(14-27(41)42)30(47)37-23(15-28(43)44)31(48)38-24(34(52)53)16-29(45)46)7-5-3-1-2-4-6-12-39-25-13-18(33(50)51)8-9-19(25)21-17-35-11-10-20(21)32(39)49/h8-11,13,17,22-24H,1-7,12,14-16H2,(H,36,40)(H,37,47)(H,38,48)(H,41,42)(H,43,44)(H,45,46)(H,50,51)(H,52,53)/t22-,23-,24-/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50437434
PNG
(CHEMBL2409175)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C
Show InChI InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)
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n/an/an/a 4.90n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010974
PNG
(CHEMBL4067866)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H35N5O14/c38-24(34-20(12-25(39)40)28(45)35-21(13-26(41)42)29(46)36-22(32(50)51)14-27(43)44)5-3-1-2-4-10-37-23-11-16(31(48)49)6-7-17(23)19-15-33-9-8-18(19)30(37)47/h6-9,11,15,20-22H,1-5,10,12-14H2,(H,34,38)(H,35,45)(H,36,46)(H,39,40)(H,41,42)(H,43,44)(H,48,49)(H,50,51)/t20-,21-,22-/m0/s1
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n/an/an/a 5.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50010974
PNG
(CHEMBL4067866)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H35N5O14/c38-24(34-20(12-25(39)40)28(45)35-21(13-26(41)42)29(46)36-22(32(50)51)14-27(43)44)5-3-1-2-4-10-37-23-11-16(31(48)49)6-7-17(23)19-15-33-9-8-18(19)30(37)47/h6-9,11,15,20-22H,1-5,10,12-14H2,(H,34,38)(H,35,45)(H,36,46)(H,39,40)(H,41,42)(H,43,44)(H,48,49)(H,50,51)/t20-,21-,22-/m0/s1
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n/an/an/a 5.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50172243
PNG
(CHEMBL3103192)
Show SMILES CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
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n/an/an/a 6.30n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay


ACS Med Chem Lett 7: 300-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00452
BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 6.5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21R6NXR
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
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n/an/an/a 6.5n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK2A2


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM165202
PNG
(US9062043, Table 10, Compound 5)
Show SMILES OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc21
Show InChI InChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6H,(H,15,16)(H,17,18)
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n/an/an/a 8.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM165202
PNG
(US9062043, Table 10, Compound 5)
Show SMILES OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc21
Show InChI InChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6H,(H,15,16)(H,17,18)
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n/an/an/a 8.90n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method


Bioorg Med Chem 25: 2277-2284 (2017)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 13n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CSNK1E kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 13n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1E


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 13n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1021/jm701045j
BindingDB Entry DOI: 10.7270/Q228060G
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 13n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CSNK1E


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
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